4-(4-methylpiperidin-1-yl)-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C28H36N6O4S MolecularWeight: 552.68824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C28H36N6O4S/c1-19(2)27(36)33-16-14-31(15-17-33)23-7-5-22(6-8-23)29-28(39)30-26(35)21-4-9-24(25(18-21)34(37)38)32-12-10-20(3)11-13-32/h4-9,18-20H,10-17H2,1-3H3,(H2,29,30,35,39)